Geometry & MOs

Info

ID:

307401

PubChem CID:

125299803

Reduced:

NO8C27H41 (1)

Stoich.:

AB8C27D41 (1)

Weight, g/mol:

507.283217

ΔHf, kcal/mol:

-341.56

Dipole, Da:

2.75

IP(EA), eV:

 -9.21(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2R)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3S,4R,5S,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]([C@@H](O[C@H]1C/C=C(\C)/C=C/[C@H]2[C@@H]([C@]3(C[C@@](O2)(C)O)CO3)O)C)NC(=O)/C=C/[C@@H](C)OC(=O)C

DOS

IR

Vibrations